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4536-23-6,MFCD00002674
Catalog No.:AA006ZL8

4536-23-6 | 2-Methylhexanoic acid

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Purity
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Price(USD)
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5g
98%
in stock  
$21.00   $15.00
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25g
98%
in stock  
$61.00   $43.00
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100g
98%
in stock  
$211.00   $148.00
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500g
98%
in stock  
$909.00   $637.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA006ZL8
Chemical Name:
2-Methylhexanoic acid
CAS Number:
4536-23-6
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD00002674
SMILES:
CC(C(=O)O)CCCC
FEMA Number:
3191
Properties
Computed Properties
 
Complexity:
88.9  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BAYERAG-EP1975163,2008,A1Locationinpatent:Page/Pagecolumn14

[2]CurrentPatentAssignee:BAYERAG-US2008/242713,2008,A1Locationinpatent:Page/Pagecolumn10CurrentPatentAssignee:BAYERAG-US2008/242714,2008,A1Locationinpatent:Page/Pagecolumn10

[3]CurrentPatentAssignee:BAYERAG-WO2008/116670,2008,A1Locationinpatent:Page/Pagecolumn21

[4]Huras,Bogumiła;Zakrzewski,Jerzy;Krawczyk,Maria;Bombińska,Danuta;Cieniecka-Rosłonkiewicz,Anna;Michalczyk,Alicja[MedicinalChemistryResearch,2017,vol.26,#3,p.509-517]

[5]CurrentPatentAssignee:CHISSOCORPORATION-EP2586764,2013,A1Locationinpatent:Paragraph0304;0306

[6]Schulteetal.[Hoppe-Seyler'sZeitschriftfurPhysiologischeChemie,1951,vol.287,p.239,248]

[7]Dobner;Elsner;Nuhn[Pharmazie,1989,vol.44,#11,p.758-760]

[1]Schuhmacher;Wibaut[RecueildesTravauxChimiquesdesPays-Bas,1953,vol.72,p.1037,1041]

[2]Weitzeletal.[Hoppe-Seyler'sZeitschriftfurPhysiologischeChemie,1952,vol.291,p.29,40][Hoppe-Seyler'sZeitschriftfuerPhysiologischeChemie,1955,vol.301,p.26,27]

[3]Skotnicki,J.S.etal.[JournalofMedicinalChemistry,1977,vol.20,#12,p.1551-1557]

[4]Voerde,Carin;Hoegberg,Hans-Erik;Hedenstroem,Erik[TetrahedronAsymmetry,1996,vol.7,#5,p.1507-1513]

[1]Levene;Bass[JournalofBiologicalChemistry,1926,vol.70,p.216]

[2]Rettinger;Burschka;Scheeben;Fuchs;Mosandl[TetrahedronAsymmetry,1991,vol.2,#10,p.965-968]

[3]Ager,DavidJ.;Babler,Scott;Froen,DianeE.;Laneman,ScottA.;Pantaleone,DavidP.;Prakash,Indra;Zhi,Ben[OrganicProcessResearchandDevelopment,2003,vol.7,#3,p.369-378]

[1]Küppers,Julian;Mitschke,Nico;Heyen,Simone;Rabus,Ralf;Wilkes,Heinz;Christoffers,Jens[ChemBioChem,2020,vol.21,#3,p.373-380]

[2]Cason;Chang[JournalofOrganicChemistry,1956,vol.21,p.449,453]

[3]Nicholas,GillianM.;Molinski,TadeuszF.[Tetrahedron,2000,vol.56,#19,p.2921-2927]

[4]Yabuuchi,Tetsuya;Kusumi,Takenori[JournalofOrganicChemistry,2000,vol.65,#2,p.397-404]

[5]Locationinpatent:experimentalpartThiele,Roland;Mueller-Seitz,Erika;Petz,Michael[JournalofAgriculturalandFoodChemistry,2008,vol.56,#11,p.4219-4224]

[6]Yoshimura,Akira;Middleton,KyleR.;Luedtke,MatthewW.;Zhu,Chenjie;Zhdankin,ViktorV.[JournalofOrganicChemistry,2012,vol.77,#24,p.11399-11404]

[7]Ager,DavidJ.;Babler,Scott;Erickson,RobertA.;Froen,DianeE.;Kittleson,Jeannine;Pantaleone,DavidP.;Prakash,Indra;Zhi,Ben[OrganicProcessResearchandDevelopment,2004,vol.8,#1,p.72-85]

[8]Ager,DavidJ.;Babler,Scott;Froen,DianeE.;Laneman,ScottA.;Pantaleone,DavidP.;Prakash,Indra;Zhi,Ben[OrganicProcessResearchandDevelopment,2003,vol.7,#3,p.369-378]

[9]Zou,Yi;Xu,Wei;Tsunematsu,Yuta;Tang,Mancheng;Watanabe,Kenji;Tang,Yi[OrganicLetters,2014,vol.16,#24,p.6390-6393]

[10]Hu,Jiantao;Lan,Tianlong;Sun,Yihua;Chen,Hui;Yao,Jiannian;Rao,Yu[ChemicalCommunications,2015,vol.51,#80,p.14929-14932]

[11]Lee,Chang-Hee;Lee,Soo-Min;Min,Byul-Hana;Kim,Dong-Su;Jun,Chul-Ho[OrganicLetters,2018,vol.20,#8,p.2468-2471]

[12]Yang,Jinyue;Fu,Xiaopan;Tang,Shibiao;Deng,Kezuan;Zhang,Lili;Yang,Xianjin;Ji,Yafei[JournalofOrganicChemistry,2019,vol.84,#16,p.10221-10236]

[1]Milas;Perry[JournaloftheAmericanChemicalSociety,1946,vol.68,p.1940]

Literature

Title: Aroma characterization of tangerine hybrids by gas-chromatography-olfactometry and sensory evaluation.

Journal: Journal of the science of food and agriculture 20120315

Title: The antiepileptic drug valproic acid and other medium-chain fatty acids acutely reduce phosphoinositide levels independently of inositol in Dictyostelium.

Journal: Disease models & mechanisms 20120101

Title: Olfactory sensitivity and odor structure-activity relationships for aliphatic carboxylic acids in CD-1 mice.

Journal: PloS one 20120101

Title: Aroma volatile compounds from two fresh pineapple varieties in China.

Journal: International journal of molecular sciences 20120101

Title: Divergence in wine characteristics produced by wild and domesticated strains of Saccharomyces cerevisiae.

Journal: FEMS yeast research 20111101

Title: Identification of fruity aroma-producing compounds from Chryseobacterium sp. isolated from the Western Ghats, India.

Journal: Current microbiology 20110801

Title: Benzoxazinones as Human Peroxisome Proliferator Activated Receptor Gamma (PPARγ) Agonists: A Docking Study Using Glide.

Journal: Indian journal of pharmaceutical sciences 20110101

Title: Characterisation of the most odour-active compounds of bone tainted dry-cured Iberian ham.

Journal: Meat science 20100501

Title: Natural organic compounds as alternative to methyl bromide for nematodes control.

Journal: Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20081101

Title: Predicting olfactory receptor neuron responses from odorant structure.

Journal: Chemistry Central journal 20070101

Title: Normal-phase chiral liquid chromatography-mass spectrometry of non-UV-active compounds: applications for pharmaceutically relevant racemates.

Journal: Journal of chromatography. A 20060707

Title: Application of polymethacrylate resin as stationary phase in liquid chromatography with UV detection for C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines.

Journal: Journal of chromatography. A 20040611

Title: Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns.

Journal: Journal of chromatography. A 20040611

Title: Api AM, et al. RIFM fragrance ingredient safety assessment, 2-methylhexanoic acid, CAS Registry Number 4536-23-6. Food Chem Toxicol. 2018 Sep;118 Suppl 1:S201-S209.

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Tags:4536-23-6 Molecular Formula|4536-23-6 MDL|4536-23-6 SMILES|4536-23-6 2-Methylhexanoic acid